Hostname: page-component-669899f699-cf6xr Total loading time: 0 Render date: 2025-04-30T07:21:06.877Z Has data issue: false hasContentIssue false
  • English
  • Français

Coexistence Of Two Carbon Phases At Grain Boundaries In Polycrystalline Diamond

Published online by Cambridge University Press:  15 February 2011

O. Shenderova  and
D. W. Brenner
O. Shenderova
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907
D. W. Brenner
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907
Get access

Abstract

Energies and structures for two models of <001> tilt grain boundaries in diamond have been calculated using a many-body empirical bond-order potential. The first model contains all four-fold coordinate atoms. The second model is a two-phase system in which a graphitic region connects the diamond grains. At selected misorientation angles we predict that the two-phase structures are energetically competitive with the sp 3 bonded structures when the width of the graphitic regions exceed 10–15Å.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 442: Symposium E – Defects in Electronic Materials II , 1996 , 693
Copyright
Copyright © Materials Research Society 1997

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

1. Abello, L. and Lucazeau, G., Diam. Relat. Mater. 1, p. 512 (1992).Google Scholar
2. Sato, Y. and Kamo, M., in The Properties of Natural and Synthetic Diamond, edited by Field, J.E. (Academic Press Limited, San Diego, 1992) p.423.Google Scholar
3. Zhu, W.,Randall, C.A., Badzian, A.R. and Messier, R., J. Vac. Sci. Technol. A7, p. 2315(1989).Google Scholar
4. Fallon, P.J. and Brown, L.M., Diam. Relat. Mater. 2, p. 1004 (1993).Google Scholar
5. Knight, D.S. and White, W.B., J. Mater. Res. 4 p. 385 (1989).Google Scholar
6. Vita, A. De, Galli, G.,Canning, A. and Car, R., Nature, 379, p. 523 (1996).Google Scholar
7. Balaban, A.T., Klein, D.J., Folden, C.A., Chem. Phys. Lett. 217, p. 266 (1994).Google Scholar
8. Davidson, B.N. and Pickett, W.E., Phys. Rev. B 49, p. 14770 (1994).Google Scholar
9. Lambrecht, W.R., Lee, C.H., Segall, B., Angus, J.C., Li, Z. and Sunkara, M., Nature 364, p. 607 (1993).Google Scholar
10. Kohyama, M., Yamamoto, R., Ebata, Y., Kinoshita, M., J. Phys. C 21, p. 3205 (1988);J.L. Rouviere and A. Bourret, J. Physique 51, C1–329 (1991). Energies and structures for similar four-fold coordinate structures modeling <011> tilt grain boundaries in diamond have been also been calculated (J. Narayan and A.S. Nandedkar, Phil. Mag. B 63, p. 181 (1991)).+tilt+grain+boundaries+in+diamond+have+been+also+been+calculated+(J.+Narayan+and+A.S.+Nandedkar,+Phil.+Mag.+B+63,+p.+181+(1991)).>Google Scholar
11. Brenner, D.W., Phys. Rev. B 42, 9458(1990).Google Scholar